Download Dataset XYZ file

Name HO-LiMoNiTi-NPJCM-2020-LiMoNiTi-train
Extended ID HO-LiMoNiTi-NPJCM-2020-LiMoNiTi-train_CooperKastnerUrbanArtrith__DS_dafx0ntmukp6_0
Description Training configurations of Li8Mo2Ni7Ti7O32 from HO-LiMoNiTi-NPJCM-2020 used in the training of an ANN, whereby total energy is extrapolated by a Taylor expansion as a means of reducing computational costs.
Authors April M. Cooper
Johannes Kästner
Alexander Urban
Nongnuch Artrith
Elements Li (14.29%)
Mo (3.57%)
Ni (12.5%)
O (57.14%)
Ti (12.5%)
Number of Data Objects 824
Number of Configurations 824
Number of Atoms 46,144
Configuration Sets by Name
Configuration Sets by ID
Data Objects
ColabFit ID DS_dafx0ntmukp6_0
Files colabfitspec.json

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